Geometry & MOs

Info

ID:	818
PubChem CID:	3396
Reduced:	OF2N3C29H31 (1)
Stoich.:	AB2C3D29E31 (1)
Weight, g/mol:	475.243519
ΔH_f, kcal/mol:	-68.96
Dipole, Da:	3.1
IP(EA), eV:	-8.77(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[4,4-bis(4-fluorophenyl)butyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one

Drug info:

PubChemData

Smile

C1CN(CCC12C(=O)NCN2C3=CC=CC=C3)CCCC(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F

DOS

IR

Vibrations